============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 6 1.040 17.556 36.879 15.580 -99.200 -91.000 TRP6 6 1.020 19.664 37.787 14.977 -99.200 -91.000 TYR 7 0.840 11.751 41.239 12.019 -99.200 -91.000 PHE 14 1.000 15.400 32.184 14.545 -99.200 -91.000 TYR 28 0.840 11.305 30.854 10.260 -99.200 -91.000 TYR 39 0.840 3.788 26.874 10.778 -99.200 -91.000 TYR 45 0.840 23.262 29.124 22.263 -99.200 -91.000 TRP 60 1.040 15.690 27.748 13.257 -99.200 -91.000 TRP6 60 1.020 17.432 29.272 12.729 -99.200 -91.000 TRP 64 1.040 7.863 24.222 7.476 -99.200 -91.000 TRP6 64 1.020 7.879 26.489 8.129 -99.200 -91.000 TYR 68 0.840 -3.878 29.414 13.198 -99.200 -91.000 HIS 72 0.900 0.776 16.383 5.963 -99.200 -91.000 TRP 77 1.040 16.218 28.362 8.418 -99.200 -91.000 TRP6 77 1.020 14.080 27.531 9.040 -99.200 -91.000 TYR 81 0.840 25.068 36.295 17.428 -99.200 -91.000 TRP 93 1.040 16.568 27.831 3.599 -99.200 -91.000 TRP6 93 1.020 15.324 26.749 1.920 -99.200 -91.000 TRP 105 1.040 13.052 11.962 -7.905 -99.200 -91.000 TRP6 105 1.020 13.227 13.960 -9.148 -99.200 -91.000 HIS 112 0.900 21.238 31.762 -0.458 -99.200 -91.000 PHE 115 1.000 16.757 33.840 9.642 -99.200 -91.000